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Molecule
Oxaprozin
CAS: 21256-18-8 · C18H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21256-18-8
- Molecular Formula
- C18H15NO3
- Molecular Mass
- 293.32 g/mol
Identifiers
CAS Registry Number
21256-18-8
SMILES
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChI Key
OFPXSFXSNFPTHF-UHFFFAOYSA-N
InChI
InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
Names and Synonyms
- Oxaprozin Synonym
- 2-Oxazolepropanoic acid, 4,5-diphenyl- Synonym
- 2-Oxazolepropionic acid, 4,5-diphenyl- Synonym
- 4,5-Diphenyl-2-oxazolepropanoic acid Synonym
- β-(4,5-Diphenyloxazol-2-yl)propionic acid Synonym
- Oxaprozin Synonym
- 4,5-Diphenyl-2-oxazolepropionic acid Synonym
- Wy 21743 Synonym
- Daypro Synonym
- Durapro Synonym
- Alvo Synonym
- Duraprost Synonym
- Oxapro Synonym
- NSC 310839 Synonym
- Actirin Synonym
- 3-(4,5-Diphenyloxazol-2-yl)propionic acid Synonym
- Oxoprazine Synonym
- 3-(4,5-Diphenyloxazol-2-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.32 g/mol | CAS Common Chemistry |
| 293.32200000000006 g/mol | RDKit | |
| 293.322 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC1=NC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=OFPXSFXSNFPTHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5-161.5 °C | CAS Common Chemistry |
| Name | Oxaprozin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 63.33 Ų | RDKit |
| 58.89 Ų | chempirical lib | |
| LogP | 4.025800000000003 | RDKit |
| 4.0258 | RDKit | |
| Molar Refractivity | 83.33180000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 293.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 293.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H15NO3.
